Conformational state labels for Molecular Dynamics trajectory of ADK double mutant (V135G, V142G)
dataset
posted on 2025-02-12, 09:36 authored by Alessandro PandiniAlessandro Pandini, Ferdoos Hossein NezhadFerdoos Hossein Nezhad, Namir Oues, Massimiliano MeliMassimiliano MeliThe table contains the values for the projection of each MD frame into the (PC1, PC2) essential space. Density values of the associated region of the space are reported. Basin and state labels are assigned alongside an occurence table for the frame in each of the subsets derived for the study. The file is in CSV format with header columns included.
Funding
DTP 2020-2021 Brunel University London
Engineering and Physical Sciences Research Council
Find out more...HECBioSim: The UK High End Computing Consortium for Biomolecular Simulation.
Engineering and Physical Sciences Research Council
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